1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide

C23H25N3O6 — CID 131953871

IUPAC1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C23H25N3O6/c1-31-16-8-6-15(7-9-16)24-23(29)19-14-26(12-4-3-5-21(27)25-30)20-11-10-17(32-2)13-18(20)22(19)28/h6-11,13-14,30H,3-5,12H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyUVVJOVKSHROMAO-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.95
Rot. Bonds9

About 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide

1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide (PubChem CID 131953871) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide
PubChem CID131953871
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C23H25N3O6/c1-31-16-8-6-15(7-9-16)24-23(29)19-14-26(12-4-3-5-21(27)25-30)20-11-10-17(32-2)13-18(20)22(19)28/h6-11,13-14,30H,3-5,12H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyUVVJOVKSHROMAO-UHFFFAOYSA-N
XLogP2.95
TPSA118.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide (CID 131953871) is 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide is COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(OC)cc3c2=O)cc1.
What is the InChIKey of 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is UVVJOVKSHROMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-31-16-8-6-15(7-9-16)24-23(29)19-14-26(12-4-3-5-21(27)25-30)20-11-10-17(32-2)13-18(20)22(19)28/h6-11,13-14,30H,3-5,12H2,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxyamino)-5-oxopentyl]-6-methoxy-N-(4-methoxyphenyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 131953871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).